methyl 4-[phenyl(propanoyl)amino]-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-[phenyl(propanoyl)amino]-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-(N-propanoylanilino)-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-[2-(1-pyrazolyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(N-propanoylanilino)-1-(2-pyrazol-1-ylethyl)piperidine-4-carboxylate Traditional Name: 4-(N-propionylanilino)-1-(2-pyrazol-1-ylethyl)isonipecotic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=CC=N3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C=CC=N3)C(=O)OC

InChI

InChI=1S/C21H28N4O3/c1-3-19(26)25(18-8-5-4-6-9-18)21(20(27)28-2)10-14-23(15-11-21)16-17-24-13-7-12-22-24/h4-9,12-13H,3,10-11,14-17H2,1-2H3